[Q-e-developers] [Pw_forum] Memory usage by pw.x

[Filippo Spiga]

On Aug 29, 2012, at 3:24 PM, Guido Fratesi <fratesi at mater.unimib.it> wrote:
>  Let me guess that 
> calling again memstat later on, eg in c_bands, could provide one a more 
> precise estimate, but maybe you can suggest a better approach, or 
> correct me if I'm completely wrong.


I think you need to put several calls in several part of the code in order to have an understanding how much memory is going to be allocated. It will likely happen that the memory occupancy increases than decreases than increases again and so on. It is possible to incorporate a  memory monitoring within the clock module BUT the amount of output that can be printed is huge!

What about tracking the maximum and the minimum recorded within an entire SCF loop by sampling the memory occupancy where a clock (start or stop) is triggered?

Cheers,
Filippo

--
Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate 
CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)
École Polytechnique Fédérale de Lausanne (EPFL)
http://anchp.epfl.ch ~ http://filippospiga.me ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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